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Literature DB >> 25369759

Carbon monoxide bonding with BeO and BeCO3 : surprisingly high CO stretching frequency of OCBeCO3.

Mohua Chen¹, Qingnan Zhang, Mingfei Zhou, Diego M Andrada, Gernot Frenking.

Abstract

The complexes OCBeCO3 and COBeCO3 have been isolated in a low-temperature neon matrix. The more stable isomer OCBeCO3 has a very high CO stretching mode of 2263 cm(-1) , which is blue-shifted by 122 cm(-1) with respect to free CO and 79 cm(-1) higher than in OCBeO. Bonding analysis of the complexes shows that OCBeO has a stronger OCBeY bond than OCBeCO3 because it encounters stronger π backdonation. The isomers COBeCO3 and COBeO exhibit red-shifted CO stretching modes with respect to free CO. The inverse change of CO stretching frequency in OCBeY and COBeY is explained with the reversed polarization of the σ and π bonds in CO.

Entities: Chemical

Keywords: beryllium carbonate; bonding analysis; carbonyl complexes; donor-acceptor interactions; matrix isolation

Year: 2014 PMID： 25369759 DOI： 10.1002/anie.201406264

Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN： 1433-7851 Impact factor: 15.336

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Cited

5 in total

1. Infrared spectroscopic and theoretical study of the HC_2n+1O⁺ (n = 2-5) cations.

Authors: Jiaye Jin; Wei Li; Yuhong Liu; Guanjun Wang; Mingfei Zhou
Journal: J Chem Phys Date: 2017-06-07 Impact factor: 3.488

2. Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase.

Authors: Wenwen Xu; Fengqi Wu; Yanying Zhao; Ran Zhou; Huigang Wang; Xuming Zheng; Bukuo Ni
Journal: Sci Rep Date: 2017-03-03 Impact factor: 4.379

Carbon monoxide bonding with BeO and BeCO3 : surprisingly high CO stretching frequency of OCBeCO3.

1. Infrared spectroscopic and theoretical study of the HC_2n+1O⁺ (n = 2-5) cations.

2. Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase.

3. Side-On Bonded Beryllium Dinitrogen Complexes.

4. Filling a Gap: The Coordinatively Saturated Group 4 Carbonyl Complexes TM(CO)₈ (TM=Zr, Hf) and Ti(CO)₇.

5. The Nature of Nonclassical Carbonyl Ligands Explained by Kohn-Sham Molecular Orbital Theory.

Carbon monoxide bonding with BeO and BeCO3 : surprisingly high CO stretching frequency of OCBeCO3.

1. Infrared spectroscopic and theoretical study of the HC2n+1O+ (n = 2-5) cations.

2. Study on the noncoincidence effect phenomenon using matrix isolated Raman spectra and the proposed structural organization model of acetone in condense phase.

3. Side-On Bonded Beryllium Dinitrogen Complexes.

4. Filling a Gap: The Coordinatively Saturated Group 4 Carbonyl Complexes TM(CO)8 (TM=Zr, Hf) and Ti(CO)7.

5. The Nature of Nonclassical Carbonyl Ligands Explained by Kohn-Sham Molecular Orbital Theory.

1. Infrared spectroscopic and theoretical study of the HC_2n+1O⁺ (n = 2-5) cations.

4. Filling a Gap: The Coordinatively Saturated Group 4 Carbonyl Complexes TM(CO)₈ (TM=Zr, Hf) and Ti(CO)₇.